2-[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethan-1-one
Chemical Structure Depiction of
2-[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethan-1-one
2-[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | F235-1980 |
| Compound Name: | 2-[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethan-1-one |
| Molecular Weight: | 337.44 |
| Molecular Formula: | C19 H19 N3 O S |
| Smiles: | Cc1ccc(cc1)C(CSc1nnc(Cc2ccccc2)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3983 |
| logD: | 3.3983 |
| logSw: | -3.7444 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.274 |
| InChI Key: | FCTPVQPOXUISFD-UHFFFAOYSA-N |